N,N'-Bis(benzyloxycarbonyl)-L-lysine 4-Nitrobenzyl Ester - CAS 1331899-68-3

Name: N,N'-Bis(benzyloxycarbonyl)-L-lysine 4-Nitrobenzyl Ester
Brand: BOC Sciences
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Catalog:	BB073237
Product Name:	N,N'-Bis(benzyloxycarbonyl)-L-lysine 4-Nitrobenzyl Ester
CAS:	1331899-68-3
Synonyms:	N,N'-Bis(benzyloxycarbonyl)-L-lysine 4-Nitrobenzyl Ester; (4-nitrophenyl)methyl (2S)-2,6-bis(phenylmethoxycarbonylamino)hexanoate; (4-Nitrophenyl)methyl N~2~,N~6~-bis[(benzyloxy)carbonyl]-L-lysinate; N,N inverted exclamation mark -Bis(benzyloxycarbonyl)-L-lysine 4-Nitrobenzyl Ester

Technical Data

IUPAC Name:	(4-nitrophenyl)methyl (2S)-2,6-bis(phenylmethoxycarbonylamino)hexanoate
Description:	Protected Lysine
Molecular Weight:	549.57
Molecular Formula:	C29H31N3O8
Canonical SMILES:	C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3
InChI:	InChI=1S/C29H31N3O8/c33-27(38-19-24-14-16-25(17-15-24)32(36)37)26(31-29(35)40-21-23-11-5-2-6-12-23)13-7-8-18-30-28(34)39-20-22-9-3-1-4-10-22/h1-6,9-12,14-17,26H,7-8,13,18-21H2,(H,30,34)(H,31,35)/t26-/m0/s1
InChI Key:	CKNHRHSELWMUNF-SANMLTNESA-N
Solubility:	Chloroform, Methanol
Appearance:	White Solid

Complexity:	785
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	549.21111496
Formal Charge:	0
Heavy Atom Count:	40
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	549.21111496
Rotatable Bond Count:	16
Topological Polar Surface Area:	149Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5